Basic information
- CAS
26702-69-2- Standard SMILES
C=CC(C)CC- InChIKey
LDTAOIUHUHHCMU-UHFFFAOYSA-N- Molecular formula
- C6H12
- Average molar mass
- 84.16 g/mol
- Monoisotopic mass
- 84.09390038
Names & identifiers
- Preferred name
- 3-Methyl-1-pentene
- IUPAC
- 3-methylpent-1-ene
- English name
- 3-METHYL-1-PENTENE
- Molecular formula
- C6H12
- Molecular weight
- 84.16
Names & synonyms
3-METHYL-1-PENTENE3-Methylpent-1-ene760-20-31-Pentene, 3-methyl-WT3LD9LU1FEINECS 212-076-4NSC 73909NSC-73909DTXSID20870762RefChem:5034921-Pentene, 3-methyl-(8CI)DTXCID10818456
Show more names
3-Methyl-pentene3-ETHYL-1-BUTENEC2H5CH(CH3)CH=CH2sec-Butylethylene3-methyl-pent-1-eneSEC-N-BUTYLETHYLENE
1-Pentene, 3-methyl-(8CI)(9CI)212-076-4MFCD000093393-methyl-1,2-pentene2-Vinylbutanesec-Butylethene3-methylpentene-1NSC73909
Database identifiers
- CAS
26702-69-2、760-20-3- PubChem CID
- 12969
- DTXSID
DTXSID20870762- UNII
- WT3LD9LU1F
- EC Number
- 212-076-4
- Nikkaji
- J43.508B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 37.3
Physicochemical properties
- Melting point
- 154 °C · −154 °C(lit.)
- Boiling point
- 54 °C · 54 °C(lit.)
- alpha
- 0 ° · 0°(c=1, C2H5OH)
- Density
- 0.67 g/mL · 0.67 g/mL at 25 °C(lit.)
- vapor pressure
- 436 mm · 436 mm Hg ( 37.7 °C)
- refractive index
- 20 · n20/D 1.384(lit.)
- Flash point
- 20 °F · −20 °F
- storage temp.
- 0 · 0-6°C
- form
- clear liquid
- color
- Colorless to Almost colorless
- Specific Gravity
- 0.67 · 0.670
- BRN
- 1719110 · 1719110
- Henry's Law Constant
- 2.8 · 2.8×10-5 mol/(m3Pa) at 25℃, Yaws (2003)
- InChI
- 1S/C6H12/c1-4-6(3)5-2/h4,6H,1,5H2,2-3H3
- InChIKey
- LDTAOIUHUHHCMU-UHFFFAOYSA-N
- SMILES
- CCC(C)C=C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves
- wgk
- 3
- ridadr
- UN 3295 3/PG 2
- hs_code
- 2901.29.1050
- risk_code
- 11-65
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS08
- hazard_code
- F,Xn
- safety_code
- 9-16-29-33-62
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- II
- Hazard statements
- H304-H225
- Hazard Classifications
- Asp. Tox. 1Flam. Liq. 2
Chemistry & industry
Applications
Uses3-Methyl-1-pentene has been used to study the rate constant of chlorine atom.
General Description3-Methyl-1-pentene has been synthesized by the pyrolysis of ethylene –butene-2 mixtures in a static system.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…